[3-(2-Hydroxypropyl)-7-methyl-6,8-dioxoisochromen-7-yl] 2-methyltetradeca-2,4-dienoate
| Internal ID | 64efe723-a905-47d5-9a51-321d6d118764 |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | [3-(2-hydroxypropyl)-7-methyl-6,8-dioxoisochromen-7-yl] 2-methyltetradeca-2,4-dienoate |
| SMILES (Canonical) | CCCCCCCCCC=CC=C(C)C(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)CC(C)O)C |
| SMILES (Isomeric) | CCCCCCCCCC=CC=C(C)C(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)CC(C)O)C |
| InChI | InChI=1S/C28H38O6/c1-5-6-7-8-9-10-11-12-13-14-15-20(2)27(32)34-28(4)25(30)18-22-17-23(16-21(3)29)33-19-24(22)26(28)31/h13-15,17-19,21,29H,5-12,16H2,1-4H3 |
| InChI Key | TYZWBYXLNZVGMK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O6 |
| Molecular Weight | 470.60 g/mol |
| Exact Mass | 470.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of [3-(2-Hydroxypropyl)-7-methyl-6,8-dioxoisochromen-7-yl] 2-methyltetradeca-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-hydroxypropyl-7-methyl-68-dioxoisochromen-7-yl-2-methyltetradeca-24-dienoate.jpg "2D Structure of [3-(2-Hydroxypropyl)-7-methyl-6,8-dioxoisochromen-7-yl] 2-methyltetradeca-2,4-dienoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.02% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.41% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.84% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.79% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.66% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.38% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.78% | 85.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.21% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.26% | 89.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.14% | 92.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.79% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.01% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.62% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.57% | 94.80% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.31% | 98.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.29% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.68% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.53% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.26% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.96% | 95.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.85% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.52% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 72963208 |
| LOTUS | LTS0076800 |
| wikiData | Q104197969 |